2-[1-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethyl]cyclohexyl]acetic acid

C21H30N2O3 — CID 119109721

IUPAC2-[1-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethyl]cyclohexyl]acetic acid
SMILESCCCN1Cc2cccc(NC(=O)CC3(CC(=O)O)CCCCC3)c2C1
InChIInChI=1S/C21H30N2O3/c1-2-11-23-14-16-7-6-8-18(17(16)15-23)22-19(24)12-21(13-20(25)26)9-4-3-5-10-21/h6-8H,2-5,9-15H2,1H3,(H,22,24)(H,25,26)
InChIKeyNXBFFGANKFQYRS-UHFFFAOYSA-N
MW358.48 g/mol
LogP4.17
Rot. Bonds7

About 2-[1-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethyl]cyclohexyl]acetic acid

2-[1-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethyl]cyclohexyl]acetic acid (PubChem CID 119109721) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is 2-[1-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethyl]cyclohexyl]acetic acid
PubChem CID119109721
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name2-[1-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethyl]cyclohexyl]acetic acid
SMILESCCCN1Cc2cccc(NC(=O)CC3(CC(=O)O)CCCCC3)c2C1
InChIInChI=1S/C21H30N2O3/c1-2-11-23-14-16-7-6-8-18(17(16)15-23)22-19(24)12-21(13-20(25)26)9-4-3-5-10-21/h6-8H,2-5,9-15H2,1H3,(H,22,24)(H,25,26)
InChIKeyNXBFFGANKFQYRS-UHFFFAOYSA-N
XLogP4.17
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethyl]cyclohexyl]acetic acid with MolForge

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Related Compounds

2-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119109727
2-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethoxy]-N-(2-propyl-1,3-dihydroisoindol-4-yl)acetamide
CID 166186487
2-[1-[2-(2-aminoanilino)-2-oxoethyl]cyclohexyl]acetic acid
CID 61403615
2-[1-[2-(2-ethoxyanilino)-2-oxoethyl]cyclohexyl]acetic acid
CID 31616843
2-(4-aminophenyl)-N-(2-propyl-1,3-dihydroisoindol-4-yl)acetamide
CID 119869989
2-[1-[2-(2-fluoroanilino)-2-oxoethyl]cyclopentyl]acetic acid
CID 60662542
2-[1-[2-(2-methyl-3-nitroanilino)-2-oxoethyl]cyclohexyl]acetic acid
CID 39729008
2-[1-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]cyclopentyl]acetic acid
CID 2813232
N-(2-methyl-1,3-dihydroisoindol-4-yl)butanamide
CID 110478696
N-(2-propyl-1,3-dihydroisoindol-4-yl)piperidine-3-carboxamide
CID 119869983
2-[1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]cyclohexyl]acetic acid
CID 31616634
3-amino-N-(2-propyl-1,3-dihydroisoindol-4-yl)-2,3-dihydro-1H-indene-1-carboxamide
CID 167889310

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethyl]cyclohexyl]acetic acid (CID 119109721) is 2-[1-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethyl]cyclohexyl]acetic acid is CCCN1Cc2cccc(NC(=O)CC3(CC(=O)O)CCCCC3)c2C1.
What is the InChIKey of 2-[1-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethyl]cyclohexyl]acetic acid?
The InChIKey is NXBFFGANKFQYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-2-11-23-14-16-7-6-8-18(17(16)15-23)22-19(24)12-21(13-20(25)26)9-4-3-5-10-21/h6-8H,2-5,9-15H2,1H3,(H,22,24)(H,25,26).
What are the key properties of 2-[1-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethyl]cyclohexyl]acetic acid?
2-[1-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethyl]cyclohexyl]acetic acid has a molecular weight of 358.48 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethyl]cyclohexyl]acetic acid is sourced from PubChem (CID 119109721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).